SCHEMBL10246812

SCHEMBL10246812

CC(=O)N1CCN(c2ccc(Nc3nccc(-c4ccc(NCCN)nc4)n3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.58
IGF1R P08069 2/20 0.58
AURKA O14965 4/20 0.57
CDK7 P50613 4/20 0.57
CDK9 P50750 4/20 0.57
AURKB Q96GD4 4/20 0.57
CDK4 P11802 3/20 0.57
CDK1 P06493 3/20 0.56
FLT3 P36888 8/20 0.56
JAK2 O60674 4/20 0.56
ALK Q9UM73 3/20 0.56
PRKD3 O94806 2/20 0.56
LCK P06239 2/20 0.56
WEE1 P30291 2/20 0.56
CHEK1 O14757 1/20 0.56
DAPK3 O43293 1/20 0.56
MAP4K4 O95819 1/20 0.56
PAK4 O96013 1/20 0.56
ABL1 P00519 1/20 0.56
NTRK1 P04629 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL659614 0.89 JAK2 (0.61) CDK2CDK4JAK2PRKD3LCK
Hydrochloric Acid SCHEMBL660445 0.88 JAK2 (0.60) CDK2CDK4JAK2PRKD3LCK
SCHEMBL14755163 0.87 EGFR (0.54) CDK2JAK2PRKD3LCKJAK3
SCHEMBL10245417 0.85 PRKD3 (0.56) CDK2IGF1RAURKACDK7CDK9
SCHEMBL10192761 0.84 JAK2 (0.59) CDK2CDK4JAK2PRKD3LCK
SCHEMBL10245770 0.81 JAK2 (0.62) CDK2CDK4JAK2KDRGSK3B
SCHEMBL13253313 0.80 JAK2 (0.67) CDK2AURKACDK7CDK9AURKB
SCHEMBL4380243 0.80 JAK2 (0.83) CDK2IGF1RAURKACDK7CDK9
SCHEMBL10246683 0.80 JAK2 (0.61) CDK2CDK4JAK2KDRGSK3B
SCHEMBL10346528 0.80 CDK2 (0.57) CDK2IGF1RAURKACDK7CDK9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS HOLDINGS INC (US) 2014-12-11 US disclosed
US-8674095-B2 Compounds for treating neuropsychiatric conditions AFRAXIS HOLDINGS, INC. (US) 2014-03-18 US disclosed
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS AFRAXIS, INC. (US) 2013-08-29 US disclosed
US-20130096115-A1 METHODS FOR TREATING AUTISM AFRAXIS, INC. (US) 2013-04-18 US disclosed
US-20130059824-A1 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT AFRAXIS, INC. (US) 2013-03-07 US disclosed
US-20120270844-A1 METHODS FOR TREATING ALZHEIMER'S DISEASE AFRAXIS, INC. (US) 2012-10-25 US disclosed
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS, INC. (US) 2012-07-19 US disclosed
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS INC. (US) 2012-02-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120270844-A1 METHODS FOR TREATING ALZHEIMER'S DISEASE PSEN2, MAPT, PSEN1 CDK2 2797/4885IGF1R 4055/4885AURKA 2855/4885
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA GRIN2A, GRIN2C, GRIN3A CDK2 2683/4885IGF1R 4731/4885AURKA 4702/4885
US-20130096115-A1 METHODS FOR TREATING AUTISM PAK2, PAK3, PAK4 CDK2 2811/4885IGF1R 4794/4885AURKA 2716/4885
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS PAK2, PAK5, PAK6 CDK2 502/4885IGF1R 4561/4885AURKA 1235/4885
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA PAK2, PAK3, PAK4 CDK2 2477/4885IGF1R 4774/4885AURKA 4649/4885
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS SMN1; SMN2, PYGB, PMP22 CDK2 2984/4885IGF1R 4814/4885AURKA 3121/4885
US-20130059824-A1 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT CHAT, PSEN2, PAK2 CDK2 1099/4885IGF1R 4095/4885AURKA 1961/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.